#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9a n HIS 3 N 0.00 0.00 0.00 0.66 8.25 -1.01 -4.96 115.22 118.16 1j9a n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1j9a n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1j9a n HIS 3 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j9a n SER 5 N 0.00 0.00 -4.66 0.41 3.41 -1.26 -4.86 113.62 106.66 1j9a n SER 5 Ca 0.00 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.13 1j9a n SER 5 Cb 0.00 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1j9a n SER 5 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1j9a n PHE 6 N 0.01 2.15 -3.64 7.33 7.35 -1.26 -4.94 117.46 124.46 1j9a n PHE 6 Ca 0.00 0.28 -0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1j9a n PHE 6 Cb 0.00 -2.53 -0.07 0.00 0.35 0.00 0.00 39.48 37.22 1j9a n PHE 6 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1j9a s ASP 7 N 1.71 -0.68 0.00 -2.13 3.68 -1.16 -5.01 116.67 113.07 1j9a s ASP 7 Ca 0.84 1.29 0.11 0.00 2.13 0.00 0.00 52.55 56.92 1j9a s ASP 7 Cb -0.75 1.29 0.51 0.00 -1.45 0.00 0.00 42.92 42.53 1j9a s ASP 7 CO 0.44 -0.26 1.35 2.29 0.13 0.00 0.00 175.17 179.12 1j9a n LYS 8 N 2.59 0.04 0.00 4.34 2.85 -1.26 -1.19 118.16 125.52 1j9a n LYS 8 Ca -0.14 0.27 0.11 0.00 -1.05 0.00 0.00 58.31 57.50 1j9a n LYS 8 Cb 0.55 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.50 1j9a n LYS 8 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1j9a n GLN 9 N -1.45 1.85 -1.07 -1.58 6.02 -1.26 -4.63 117.38 115.25 1j9a n GLN 9 Ca 0.03 -1.58 -0.34 0.00 -0.01 0.00 0.00 57.00 55.11 1j9a n GLN 9 Cb 0.12 -1.41 0.12 0.00 1.02 0.00 0.00 30.24 30.09 1j9a n GLN 9 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1j9a n ASN 10 N 0.90 -0.01 -4.26 1.08 3.02 -0.34 -3.73 115.26 111.93 1j9a n ASN 10 Ca 0.12 0.54 -0.32 0.00 -0.03 0.00 0.00 54.58 54.89 1j9a n ASN 10 Cb 0.51 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.13 1j9a n ASN 10 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j9a s LEU 11 N -3.70 2.17 -0.32 3.41 1.43 0.06 -4.53 118.68 117.21 1j9a s LEU 11 Ca 0.69 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1j9a s LEU 11 Cb -0.29 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1j9a s LEU 11 CO 0.55 0.19 0.29 -0.63 0.23 0.00 0.00 176.35 176.99 1j9a s ILE 12 N 0.16 5.23 -0.09 -0.59 1.01 -1.26 -1.90 121.20 123.76 1j9a s ILE 12 Ca -0.13 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 1j9a s ILE 12 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1j9a s ILE 12 CO 0.07 0.05 0.10 0.26 0.00 0.00 0.00 174.94 175.41 1j9a s TRP 13 N 1.90 3.44 -0.01 3.97 0.52 0.44 -2.57 118.94 126.62 1j9a s TRP 13 Ca 0.10 0.38 -0.04 0.00 0.02 0.00 0.00 56.10 56.56 1j9a s TRP 13 Cb -0.16 -1.87 0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1j9a s TRP 13 CO 0.11 0.63 0.09 -1.50 0.02 0.00 0.00 176.95 176.31 1j9a s ILE 14 N -1.03 0.06 -0.24 2.03 2.07 -1.00 -1.64 121.20 121.46 1j9a s ILE 14 Ca 0.16 -0.47 -0.03 0.00 -1.41 0.00 0.00 60.65 58.91 1j9a s ILE 14 Cb -0.12 -0.29 0.11 0.00 0.13 0.00 0.00 42.46 42.30 1j9a s ILE 14 CO 0.06 -0.26 0.28 -0.62 -1.91 0.00 0.00 174.94 172.49 1j9a s ASP 15 N -0.84 1.21 0.48 4.50 -1.08 -0.69 -4.68 116.67 115.57 1j9a s ASP 15 Ca -0.09 -0.28 -0.13 0.00 -0.52 0.00 0.00 52.55 51.53 1j9a s ASP 15 Cb -0.05 0.58 -0.07 0.00 -1.46 0.00 0.00 42.92 41.92 1j9a s ASP 15 CO 0.00 -0.34 0.89 -0.76 0.52 0.00 0.00 175.17 175.49 1j9a s LEU 16 N 2.38 3.67 0.35 -1.34 1.43 -1.26 -3.05 118.68 120.86 1j9a s LEU 16 Ca 0.09 1.35 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1j9a s LEU 16 Cb -0.15 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 1j9a s LEU 16 CO -0.19 -0.54 0.23 -1.61 0.23 0.00 0.00 176.35 174.47 1j9a s GLU 17 N -4.12 2.51 0.00 1.70 0.41 0.20 -4.96 118.70 114.44 1j9a s GLU 17 Ca 0.55 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 1j9a s GLU 17 Cb -0.10 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1j9a s GLU 17 CO 0.34 0.05 0.08 0.25 -0.49 0.00 0.00 175.26 175.49 1j9a n THR 19 N -1.29 0.00 -4.01 3.63 -2.24 -0.97 -1.32 114.28 108.08 1j9a n THR 19 Ca -0.02 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1j9a n THR 19 Cb 0.61 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 69.97 1j9a n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9a n GLY 20 N 0.41 0.23 0.03 3.38 0.00 -1.26 -4.41 105.19 103.57 1j9a n GLY 20 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.12 1j9a n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j9a n LEU 21 N 0.00 0.00 -4.54 0.99 4.77 -1.26 -4.78 117.00 112.19 1j9a n LEU 21 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1j9a n LEU 21 Cb 0.38 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1j9a n LEU 21 CO 0.09 0.12 0.16 -0.62 -1.33 0.00 0.00 177.39 175.82 1j9a s ASP 22 N -4.47 6.26 0.54 -1.43 3.68 -1.26 -4.88 116.67 115.10 1j9a s ASP 22 Ca -0.07 -0.21 0.20 0.00 2.13 0.00 0.00 52.55 54.59 1j9a s ASP 22 Cb 0.10 -2.24 1.40 0.00 -1.45 0.00 0.00 42.92 40.73 1j9a s ASP 22 CO 0.77 -0.48 2.16 1.55 0.13 0.00 0.00 175.17 179.30 1j9a h PRO 23 N 8.53 0.00 0.00 4.34 0.13 -1.86 0.26 132.00 143.40 1j9a h PRO 23 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1j9a h PRO 23 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j9a h PRO 23 CO 0.76 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.92 1j9a n GLU 24 N -4.36 0.06 0.00 0.86 -0.58 -1.26 -2.07 120.64 113.29 1j9a n GLU 24 Ca -0.02 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1j9a n GLU 24 Cb 0.14 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1j9a n GLU 24 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1j9a n LYS 25 N -1.45 -0.10 -4.32 3.49 4.01 -0.65 -5.10 118.16 114.04 1j9a n LYS 25 Ca 0.05 -0.22 -0.24 0.00 -0.51 0.00 0.00 58.31 57.38 1j9a n LYS 25 Cb 0.17 -0.63 -0.08 0.00 -0.51 0.00 0.00 35.03 33.98 1j9a n LYS 25 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1j9a s GLU 26 N -0.04 2.11 0.04 1.97 0.41 0.83 -4.99 118.70 119.02 1j9a s GLU 26 Ca 0.00 -1.65 -0.01 0.00 -0.41 0.00 0.00 54.97 52.90 1j9a s GLU 26 Cb 0.00 -1.99 -0.03 0.00 -1.78 0.00 0.00 34.13 30.33 1j9a s GLU 26 CO 0.00 0.21 -0.02 1.03 -0.49 0.00 0.00 175.26 175.99 1j9a s ARG 27 N -3.69 0.50 0.45 1.61 0.52 -1.26 -4.58 118.95 112.50 1j9a s ARG 27 Ca 0.34 -0.98 -0.23 0.00 -0.52 0.00 0.00 55.73 54.33 1j9a s ARG 27 Cb -0.02 0.18 -0.07 0.00 0.52 0.00 0.00 34.95 35.55 1j9a s ARG 27 CO 0.19 -0.09 1.19 0.42 0.02 0.00 0.00 175.30 177.03 1j9a s ILE 28 N -2.98 3.01 0.00 1.52 1.01 -1.26 -2.29 121.20 120.21 1j9a s ILE 28 Ca -0.02 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1j9a s ILE 28 Cb 0.01 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1j9a s ILE 28 CO -0.07 0.01 0.04 2.30 0.00 0.00 0.00 174.94 177.23 1j9a n ILE 29 N -0.41 0.00 -3.57 2.92 -5.35 -0.43 -4.82 119.36 107.70 1j9a n ILE 29 Ca 0.07 -0.09 -0.17 0.00 -0.27 0.00 0.00 62.75 62.29 1j9a n ILE 29 Cb 0.47 1.38 -0.07 0.00 -1.74 0.00 0.00 39.64 39.69 1j9a n ILE 29 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1j9a s GLU 30 N -0.10 0.96 -0.01 6.28 2.12 -1.08 -2.61 118.70 124.28 1j9a s GLU 30 Ca 0.00 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.76 1j9a s GLU 30 Cb 0.00 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.86 1j9a s GLU 30 CO 0.00 -0.26 0.00 -1.50 -0.54 0.00 0.00 175.26 172.97 1j9a s ILE 31 N -0.77 0.06 0.01 -3.70 2.07 -0.47 -0.63 121.20 117.77 1j9a s ILE 31 Ca -0.08 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.15 1j9a s ILE 31 Cb -0.02 -0.12 -0.00 0.00 0.13 0.00 0.00 42.46 42.45 1j9a s ILE 31 CO 0.07 0.07 0.13 0.00 -1.91 0.00 0.00 174.94 173.30 1j9a s ALA 32 N 0.51 -0.28 0.07 1.50 0.00 -1.17 -0.07 121.76 122.31 1j9a s ALA 32 Ca -0.04 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 1j9a s ALA 32 Cb -0.07 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1j9a s ALA 32 CO -0.01 -0.23 0.21 0.95 0.00 0.00 0.00 175.76 176.68 1j9a s THR 33 N -1.59 0.12 -0.12 0.00 -4.23 -1.26 -1.71 115.64 106.86 1j9a s THR 33 Ca -0.13 -0.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.30 1j9a s THR 33 Cb -0.07 -1.12 0.04 0.00 1.34 0.00 0.00 72.50 72.69 1j9a s THR 33 CO 0.01 -0.55 0.30 -0.63 -0.54 0.00 0.00 174.62 173.21 1j9a s ILE 34 N -3.19 -0.01 -0.12 2.99 1.01 -0.65 -0.05 121.20 121.17 1j9a s ILE 34 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1j9a s ILE 34 Cb 0.02 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 1j9a s ILE 34 CO -0.07 0.02 -0.08 -0.69 0.00 0.00 0.00 174.94 174.11 1j9a s VAL 35 N 0.59 3.50 0.38 2.92 1.01 0.63 -0.42 120.40 129.01 1j9a s VAL 35 Ca -0.04 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1j9a s VAL 35 Cb -0.05 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 1j9a s VAL 35 CO -0.03 0.53 0.05 0.42 0.00 0.00 0.00 175.10 176.07 1j9a s THR 36 N 0.03 2.30 0.86 3.92 -4.23 -0.80 -0.67 115.64 117.05 1j9a s THR 36 Ca -0.02 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 58.47 1j9a s THR 36 Cb -0.14 -2.91 0.16 0.00 1.34 0.00 0.00 72.50 70.96 1j9a s THR 36 CO 0.03 -0.08 1.19 1.51 -0.54 0.00 0.00 174.62 176.74 1j9a s ASP 37 N -3.76 3.66 0.66 3.99 3.84 -0.53 -0.76 116.67 123.78 1j9a s ASP 37 Ca 0.36 0.08 0.43 0.00 -0.00 0.00 0.00 52.55 53.42 1j9a s ASP 37 Cb 0.05 -0.28 2.37 0.00 -1.38 0.00 0.00 42.92 43.68 1j9a s ASP 37 CO 0.20 -2.36 2.36 0.07 -0.00 0.00 0.00 175.17 175.44 1j9a h LYS 38 N -1.19 0.00 -0.64 2.11 2.10 -1.90 -1.72 116.57 115.32 1j9a h LYS 38 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1j9a h LYS 38 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1j9a h LYS 38 CO 0.41 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.95 1j9a n ASN 39 N -3.14 4.58 -0.50 7.07 3.02 -1.26 -4.93 115.26 120.09 1j9a n ASN 39 Ca -0.03 -2.53 -0.06 0.00 -0.03 0.00 0.00 54.58 51.94 1j9a n ASN 39 Cb 0.08 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1j9a n ASN 39 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1j9a n LEU 40 N 0.86 -0.59 -4.66 3.41 4.77 -0.65 -5.01 117.00 115.13 1j9a n LEU 40 Ca 0.24 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1j9a n LEU 40 Cb 0.90 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1j9a n LEU 40 CO 0.24 -0.27 0.67 0.20 -1.33 0.00 0.00 177.39 176.90 1j9a s ASN 41 N -2.90 6.95 0.12 -1.43 0.01 -1.26 -4.84 114.94 111.59 1j9a s ASN 41 Ca 0.00 1.18 -0.31 0.00 -0.71 0.00 0.00 52.86 53.02 1j9a s ASN 41 Cb 0.00 -2.46 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 1j9a s ASN 41 CO 0.00 -0.47 1.31 -0.63 -1.51 0.00 0.00 177.10 175.80 1j9a s ILE 42 N 2.47 3.51 -0.12 0.60 1.01 -1.26 -1.45 121.20 125.95 1j9a s ILE 42 Ca 0.38 1.12 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 1j9a s ILE 42 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1j9a s ILE 42 CO 0.10 0.11 -0.17 0.18 0.00 0.00 0.00 174.94 175.16 1j9a n LEU 43 N 3.61 1.54 -3.90 2.97 4.77 0.16 -4.92 117.00 121.23 1j9a n LEU 43 Ca 0.09 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1j9a n LEU 43 Cb 0.44 -0.80 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1j9a n LEU 43 CO 0.57 -0.46 -0.25 0.00 -1.33 0.00 0.00 177.39 175.93 1j9a s ALA 44 N -2.79 -0.17 -0.12 -1.18 0.00 -0.97 -5.01 121.76 111.52 1j9a s ALA 44 Ca -0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1j9a s ALA 44 Cb 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1j9a s ALA 44 CO 0.21 -0.16 0.29 -1.21 0.00 0.00 0.00 175.76 174.88 1j9a s GLU 45 N -1.13 4.05 0.00 0.00 2.02 -1.26 -0.26 118.70 122.12 1j9a s GLU 45 Ca -0.12 0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1j9a s GLU 45 Cb -0.07 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1j9a s GLU 45 CO 0.00 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1j9a n GLY 46 N 2.85 1.73 3.69 -1.39 0.00 0.93 -4.95 105.19 108.05 1j9a n GLY 46 Ca -0.14 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 1j9a n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j9a n PRO 47 N -0.95 2.53 -3.47 1.61 -0.04 -1.26 -4.63 135.00 128.80 1j9a n PRO 47 Ca 0.00 0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 63.95 1j9a n PRO 47 Cb 0.00 -2.77 -0.09 0.00 -0.04 0.00 0.00 33.50 30.60 1j9a n PRO 47 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j9a s VAL 48 N 2.34 4.95 -0.09 0.52 1.01 -1.26 -3.98 120.40 123.89 1j9a s VAL 48 Ca 0.82 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1j9a s VAL 48 Cb -0.57 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1j9a s VAL 48 CO 0.39 -0.49 -0.13 -0.76 0.00 0.00 0.00 175.10 174.11 1j9a s LEU 49 N 1.59 1.62 -0.42 3.92 1.43 0.89 -4.97 118.68 122.74 1j9a s LEU 49 Ca 0.04 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 1j9a s LEU 49 Cb -0.23 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.07 1j9a s LEU 49 CO 0.06 0.01 1.03 0.00 0.23 0.00 0.00 176.35 177.68 1j9a s ALA 50 N 0.92 3.30 -0.14 4.21 0.00 -1.26 -1.36 121.76 127.43 1j9a s ALA 50 Ca -0.09 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 1j9a s ALA 50 Cb -0.15 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1j9a s ALA 50 CO 0.00 -1.90 0.94 0.08 0.00 0.00 0.00 175.76 174.88 1j9a s VAL 51 N 3.92 4.82 0.21 0.00 1.01 -1.07 -4.50 120.40 124.79 1j9a s VAL 51 Ca 0.43 1.88 -0.23 0.00 0.00 0.00 0.00 61.98 64.06 1j9a s VAL 51 Cb -0.10 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 1j9a s VAL 51 CO 0.24 0.00 0.78 -2.28 0.00 0.00 0.00 175.10 173.85 1j9a s HIS 52 N 2.12 3.77 0.02 5.22 5.04 -0.90 -4.47 115.29 126.09 1j9a s HIS 52 Ca 0.44 1.56 0.00 0.00 -1.54 0.00 0.00 55.06 55.52 1j9a s HIS 52 Cb -0.17 -2.73 -0.02 0.00 0.04 0.00 0.00 32.58 29.69 1j9a s HIS 52 CO 0.15 0.40 -0.03 -0.65 -2.34 0.00 0.00 174.74 172.26 1j9a s GLN 53 N -1.63 0.36 1.00 2.88 -1.52 -1.26 -4.91 119.66 114.58 1j9a s GLN 53 Ca 0.41 -0.67 -0.17 0.00 -1.95 0.00 0.00 55.36 52.98 1j9a s GLN 53 Cb -0.20 0.08 -0.05 0.00 -0.22 0.00 0.00 33.01 32.62 1j9a s GLN 53 CO 0.24 -0.04 -0.35 -1.13 -0.25 0.00 0.00 175.29 173.76 1j9a n SER 54 N 1.47 -3.68 0.13 5.90 3.41 -1.26 -4.84 113.62 114.75 1j9a n SER 54 Ca -0.23 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1j9a n SER 54 Cb 0.55 -0.92 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1j9a n SER 54 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1j9a h ASP 55 N -1.36 0.00 0.25 4.04 3.32 -2.01 -3.06 116.42 117.60 1j9a h ASP 55 Ca -0.45 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.37 1j9a h ASP 55 Cb 1.31 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.87 1j9a h ASP 55 CO 0.29 0.63 -0.95 -0.33 -1.72 0.00 0.00 179.24 177.16 1j9a h GLU 56 N 0.00 0.48 -0.12 3.56 5.08 -1.97 -1.50 114.58 120.11 1j9a h GLU 56 Ca -0.01 -0.51 -0.15 0.00 -1.00 0.00 0.00 59.36 57.70 1j9a h GLU 56 Cb 1.39 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1j9a h GLU 56 CO 0.08 1.15 -0.57 1.25 -1.00 0.00 0.00 179.01 179.92 1j9a h LEU 57 N 0.28 0.42 -1.54 1.33 5.85 -1.92 -1.74 115.31 117.98 1j9a h LEU 57 Ca -0.09 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 1j9a h LEU 57 Cb 1.58 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1j9a h LEU 57 CO 0.17 0.90 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.86 1j9a h LEU 58 N 0.28 0.00 0.00 2.25 3.38 -1.53 -2.92 115.31 116.77 1j9a h LEU 58 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1j9a h LEU 58 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1j9a h LEU 58 CO 0.10 0.24 -0.70 0.78 0.09 0.00 0.00 178.44 178.95 1j9a h ASN 59 N 0.00 0.00 -0.85 -0.43 -0.26 -0.87 -3.47 115.58 109.70 1j9a h ASN 59 Ca -0.00 0.00 -0.70 0.00 -0.56 0.00 0.00 56.30 55.04 1j9a h ASN 59 Cb 0.46 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.64 1j9a h ASN 59 CO 0.03 0.45 2.31 0.29 -1.06 0.00 0.00 177.43 179.45 1j9a n LYS 60 N -3.11 3.16 -4.10 0.81 5.02 -0.69 -5.04 118.16 114.20 1j9a n LYS 60 Ca -0.01 -3.21 -0.33 0.00 -2.02 0.00 0.00 58.31 52.75 1j9a n LYS 60 Cb 0.73 -3.37 -0.07 0.00 -0.02 0.00 0.00 35.03 32.30 1j9a n LYS 60 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1j9a s ASN 62 N 3.67 5.66 0.54 4.39 3.84 -1.26 -5.08 114.94 126.70 1j9a s ASN 62 Ca 0.50 0.14 0.24 0.00 0.21 0.00 0.00 52.86 53.96 1j9a s ASN 62 Cb 0.06 -1.62 1.41 0.00 -0.55 0.00 0.00 41.25 40.54 1j9a s ASN 62 CO 0.03 0.27 2.04 0.44 -2.79 0.00 0.00 177.10 177.09 1j9a h ASP 63 N 4.10 0.00 -0.09 -4.21 3.32 -1.99 -1.28 116.42 116.28 1j9a h ASP 63 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 1j9a h ASP 63 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1j9a h ASP 63 CO 0.62 0.00 -0.16 -0.50 -1.72 0.00 0.00 179.24 177.48 1j9a h TRP 64 N 0.00 0.34 -0.52 4.55 4.06 -2.01 -2.43 115.95 119.94 1j9a h TRP 64 Ca 0.18 -0.12 -0.11 0.00 2.06 0.00 0.00 58.89 60.90 1j9a h TRP 64 Cb 0.74 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.82 1j9a h TRP 64 CO 0.00 0.76 -0.10 0.00 -3.56 0.00 0.00 178.44 175.54 1j9a h GLN 66 N 0.86 0.35 -0.10 0.00 4.20 -1.31 -0.59 115.11 118.53 1j9a h GLN 66 Ca 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1j9a h GLN 66 Cb 0.64 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1j9a h GLN 66 CO 0.04 0.36 0.03 -0.22 -0.67 0.00 0.00 178.83 178.37 1j9a h LYS 67 N 0.35 0.15 -0.20 1.46 3.64 -0.86 -2.60 116.57 118.52 1j9a h LYS 67 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1j9a h LYS 67 Cb 0.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1j9a h LYS 67 CO 0.00 0.30 -0.01 1.79 -2.27 0.00 0.00 179.45 179.26 1j9a h THR 68 N -0.03 1.26 0.00 1.00 1.35 -1.22 -2.15 112.91 113.13 1j9a h THR 68 Ca 0.03 -0.90 -0.05 0.00 -0.55 0.00 0.00 66.41 64.95 1j9a h THR 68 Cb 0.21 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1j9a h THR 68 CO -0.00 0.27 -0.22 0.45 -0.25 0.00 0.00 175.52 175.78 1j9a h HIS 69 N 0.11 0.00 0.01 4.73 3.86 -1.13 -0.19 115.15 122.54 1j9a h HIS 69 Ca 0.06 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 1j9a h HIS 69 Cb 0.41 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1j9a h HIS 69 CO 0.04 0.22 -0.50 1.03 0.86 0.00 0.00 177.93 179.58 1j9a h SER 70 N 0.00 0.42 0.35 2.45 0.87 -1.29 0.60 113.55 116.95 1j9a h SER 70 Ca -0.00 -0.78 -0.12 0.00 -1.23 0.00 0.00 61.79 59.65 1j9a h SER 70 Cb 0.39 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1j9a h SER 70 CO 0.03 1.15 -0.51 1.05 -0.53 0.00 0.00 176.83 178.02 1j9a h GLU 71 N -0.26 0.18 -0.47 2.24 4.11 -0.98 -0.82 114.58 118.58 1j9a h GLU 71 Ca -0.06 -0.10 -0.12 0.00 0.07 0.00 0.00 59.36 59.14 1j9a h GLU 71 Cb 1.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1j9a h GLU 71 CO 0.10 0.65 -0.19 -0.91 0.07 0.00 0.00 179.01 178.73 1j9a h ASN 72 N 0.14 0.95 0.00 3.06 -0.26 -1.11 -3.47 115.58 114.89 1j9a h ASN 72 Ca 0.00 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 1j9a h ASN 72 Cb 0.95 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1j9a h ASN 72 CO 0.08 1.11 0.00 0.61 -1.06 0.00 0.00 177.43 178.17 1j9a n GLY 73 N -0.19 1.10 0.36 2.83 0.00 -0.24 -4.87 105.19 104.18 1j9a n GLY 73 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1j9a n GLY 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j9a h LEU 74 N 0.00 1.05 -0.61 0.99 5.85 -0.11 -2.76 115.31 119.73 1j9a h LEU 74 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1j9a h LEU 74 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1j9a h LEU 74 CO 0.00 0.72 0.18 0.40 -0.34 0.00 0.00 178.44 179.39 1j9a h ILE 75 N 1.22 1.25 -1.10 4.05 2.04 -1.87 0.12 117.51 123.22 1j9a h ILE 75 Ca 0.39 -0.86 0.31 0.00 1.00 0.00 0.00 64.86 65.71 1j9a h ILE 75 Cb 0.02 0.65 -0.11 0.00 -0.74 0.00 0.00 36.82 36.64 1j9a h ILE 75 CO -0.13 0.32 0.69 -0.08 0.00 0.00 0.00 178.15 178.96 1j9a h GLU 76 N 0.87 0.32 0.11 2.37 4.81 -1.80 0.26 114.58 121.51 1j9a h GLU 76 Ca 0.19 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.13 1j9a h GLU 76 Cb 0.31 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1j9a h GLU 76 CO -0.00 0.21 -1.25 0.00 -0.73 0.00 0.00 179.01 177.23 1j9a h ARG 77 N 0.33 0.24 -0.64 1.92 3.08 -0.91 -2.55 114.38 115.84 1j9a h ARG 77 Ca 0.67 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 1j9a h ARG 77 Cb 1.76 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.93 1j9a h ARG 77 CO -0.38 1.18 0.06 0.82 -1.07 0.00 0.00 179.97 180.58 1j9a h ILE 78 N 0.06 1.26 0.00 2.04 2.04 0.18 0.33 117.51 123.43 1j9a h ILE 78 Ca -0.13 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1j9a h ILE 78 Cb 1.96 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1j9a h ILE 78 CO 0.19 0.40 -0.09 0.11 0.00 0.00 0.00 178.15 178.76 1j9a h LYS 79 N 1.00 0.00 -0.20 2.37 1.57 -0.86 -2.50 116.57 117.95 1j9a h LYS 79 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1j9a h LYS 79 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1j9a h LYS 79 CO 0.02 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1j9a n ALA 80 N -2.12 2.44 -1.78 3.86 0.00 -0.83 -4.97 120.51 117.10 1j9a n ALA 80 Ca 0.03 -0.83 -0.36 0.00 0.00 0.00 0.00 53.44 52.27 1j9a n ALA 80 Cb 0.53 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 1j9a n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j9a s SER 81 N -1.71 6.76 0.00 0.00 0.15 0.11 -4.94 113.70 114.07 1j9a s SER 81 Ca 0.32 2.04 0.07 0.00 0.70 0.00 0.00 55.95 59.08 1j9a s SER 81 Cb 0.21 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1j9a s SER 81 CO 0.30 -0.49 0.55 0.29 1.20 0.00 0.00 173.24 175.09 1j9a n LYS 82 N -0.07 2.01 -2.44 5.44 4.76 -1.26 -4.73 118.16 121.87 1j9a n LYS 82 Ca 0.05 -0.56 -0.41 0.00 -2.87 0.00 0.00 58.31 54.52 1j9a n LYS 82 Cb 0.50 -1.01 -0.04 0.00 -1.84 0.00 0.00 35.03 32.64 1j9a n LYS 82 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1j9a s LEU 83 N -1.33 4.48 0.68 -0.35 1.43 -1.26 -4.94 118.68 117.39 1j9a s LEU 83 Ca 0.06 2.20 -0.04 0.00 -1.03 0.00 0.00 54.13 55.32 1j9a s LEU 83 Cb 0.06 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.74 1j9a s LEU 83 CO 0.17 -0.27 0.96 0.42 0.23 0.00 0.00 176.35 177.86 1j9a s THR 84 N -0.38 2.35 0.13 5.49 -4.23 -1.26 -2.12 115.64 115.61 1j9a s THR 84 Ca 0.50 -0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 1j9a s THR 84 Cb -0.31 -2.92 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 1j9a s THR 84 CO 0.37 0.00 1.67 -0.33 -0.54 0.00 0.00 174.62 175.79 1j9a h GLU 85 N -0.46 0.55 -0.61 3.99 3.07 -1.92 -1.86 114.58 117.35 1j9a h GLU 85 Ca -0.42 -0.10 0.03 0.00 -0.50 0.00 0.00 59.36 58.37 1j9a h GLU 85 Cb 1.30 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.08 1j9a h GLU 85 CO 0.53 0.54 0.36 -0.09 -1.40 0.00 0.00 179.01 178.95 1j9a h ARG 86 N 0.45 0.68 -0.36 2.33 9.65 -1.96 0.20 114.38 125.37 1j9a h ARG 86 Ca 0.12 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1j9a h ARG 86 Cb 0.20 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1j9a h ARG 86 CO -0.01 0.45 0.15 0.00 2.80 0.00 0.00 179.97 183.36 1j9a h ALA 87 N 1.28 0.43 -0.06 2.80 0.00 -1.91 0.11 119.26 121.90 1j9a h ALA 87 Ca 0.25 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1j9a h ALA 87 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1j9a h ALA 87 CO -0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 179.25 178.80 1j9a h ALA 88 N 1.21 -0.05 0.34 0.00 0.00 -0.53 -1.57 119.26 118.66 1j9a h ALA 88 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1j9a h ALA 88 Cb 0.11 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j9a h ALA 88 CO -0.14 -0.57 -0.16 1.49 0.00 0.00 0.00 179.25 179.87 1j9a h GLU 89 N -0.13 -0.43 -0.81 0.00 4.81 -0.27 -0.94 114.58 116.80 1j9a h GLU 89 Ca 0.06 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.47 1j9a h GLU 89 Cb 0.22 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.60 1j9a h GLU 89 CO -0.14 -0.22 0.37 -0.07 -0.73 0.00 0.00 179.01 178.22 1j9a h LEU 90 N -0.57 0.40 -1.32 1.64 -0.00 -0.80 0.23 115.31 114.88 1j9a h LEU 90 Ca -0.05 0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.87 1j9a h LEU 90 Cb 0.42 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1j9a h LEU 90 CO 0.08 0.15 -0.31 -0.61 -0.00 0.00 0.00 178.44 177.75 1j9a h GLN 91 N 0.52 0.05 0.08 1.13 4.15 -0.66 -0.85 115.11 119.54 1j9a h GLN 91 Ca 0.45 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.74 1j9a h GLN 91 Cb 0.68 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.38 1j9a h GLN 91 CO -0.40 0.36 -0.50 1.15 -1.93 0.00 0.00 178.83 177.51 1j9a h THR 92 N 0.05 1.61 -0.52 2.39 2.02 0.46 -3.06 112.91 115.85 1j9a h THR 92 Ca 0.01 -2.42 0.08 0.00 0.77 0.00 0.00 66.41 64.84 1j9a h THR 92 Cb 0.57 3.22 -0.10 0.00 -1.74 0.00 0.00 68.15 70.10 1j9a h THR 92 CO 0.04 0.67 -0.43 -0.07 0.37 0.00 0.00 175.52 176.10 1j9a h LEU 93 N -0.58 -1.47 -0.75 2.58 3.38 -0.61 0.28 115.31 118.13 1j9a h LEU 93 Ca -0.09 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1j9a h LEU 93 Cb 1.38 0.66 -0.14 0.00 0.09 0.00 0.00 40.66 42.65 1j9a h LEU 93 CO 0.09 -0.35 -0.22 0.44 0.09 0.00 0.00 178.44 178.50 1j9a h ASP 94 N -0.26 -0.82 0.17 -0.43 3.45 -1.23 0.21 116.42 117.52 1j9a h ASP 94 Ca 0.16 0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.86 1j9a h ASP 94 Cb 0.57 0.51 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1j9a h ASP 94 CO -0.65 -0.26 -0.13 0.15 -1.57 0.00 0.00 179.24 176.77 1j9a h PHE 95 N -0.02 -0.34 -0.43 4.55 3.57 -1.28 -3.27 116.94 119.71 1j9a h PHE 95 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1j9a h PHE 95 Cb 0.56 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1j9a h PHE 95 CO -0.63 -0.21 0.22 -0.07 -2.23 0.00 0.00 178.31 175.39 1j9a h LEU 96 N -0.31 0.56 -1.96 0.59 3.38 0.26 -2.39 115.31 115.43 1j9a h LEU 96 Ca -0.01 -0.12 0.46 0.00 0.09 0.00 0.00 57.88 58.30 1j9a h LEU 96 Cb 0.28 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1j9a h LEU 96 CO -0.01 0.52 1.12 0.11 0.09 0.00 0.00 178.44 180.27 1j9a h LYS 97 N 0.56 0.01 -0.01 1.13 1.57 -1.08 0.54 116.57 119.28 1j9a h LYS 97 Ca 0.15 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1j9a h LYS 97 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1j9a h LYS 97 CO -0.02 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 1j9a n LYS 98 N -4.09 1.24 0.00 3.15 5.02 -0.90 -4.45 118.16 118.13 1j9a n LYS 98 Ca 0.35 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1j9a n LYS 98 Cb 1.62 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1j9a n LYS 98 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1j9a n TRP 99 N -0.55 0.00 -3.79 2.13 7.02 0.14 -2.41 117.44 119.97 1j9a n TRP 99 Ca 0.21 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.57 1j9a n TRP 99 Cb 0.19 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.96 1j9a n TRP 99 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1j9a s VAL 100 N -1.25 -0.00 0.41 -0.99 1.01 -0.96 -3.00 120.40 115.62 1j9a s VAL 100 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 1j9a s VAL 100 Cb 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 1j9a s VAL 100 CO 0.00 0.00 1.15 -2.16 0.00 0.00 0.00 175.10 174.10 1j9a s PRO 101 N 0.17 4.02 0.08 2.72 0.04 -1.26 -4.40 135.00 136.36 1j9a s PRO 101 Ca -0.00 1.78 -0.37 0.00 0.04 0.00 0.00 61.00 62.45 1j9a s PRO 101 Cb -0.02 -2.61 -0.18 0.00 0.04 0.00 0.00 34.50 31.73 1j9a s PRO 101 CO -0.00 -0.34 1.16 1.17 0.04 0.00 0.00 177.00 179.03 1j9a n LYS 102 N -0.04 0.65 -0.80 4.56 0.00 -1.26 -1.72 118.16 119.55 1j9a n LYS 102 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.59 1j9a n LYS 102 Cb 0.47 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.74 1j9a n LYS 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j9a n GLY 103 N 2.02 1.21 0.13 3.14 0.00 0.13 -4.92 105.19 106.90 1j9a n GLY 103 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1j9a n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9a n ALA 104 N 0.65 0.92 -2.20 4.61 0.00 -0.70 -3.69 120.51 120.10 1j9a n ALA 104 Ca 0.00 -0.63 -0.37 0.00 0.00 0.00 0.00 53.44 52.44 1j9a n ALA 104 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1j9a n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j9a s SER 105 N -6.97 7.01 0.94 0.00 0.15 -1.26 -4.61 113.70 108.96 1j9a s SER 105 Ca -0.27 1.30 -0.13 0.00 0.70 0.00 0.00 55.95 57.56 1j9a s SER 105 Cb 0.07 -2.37 0.15 0.00 -1.71 0.00 0.00 66.02 62.16 1j9a s SER 105 CO 0.67 0.11 1.13 -2.16 1.20 0.00 0.00 173.24 174.20 1j9a s PRO 106 N -1.76 0.93 -0.10 5.44 0.04 -1.26 -0.64 135.00 137.64 1j9a s PRO 106 Ca 0.38 0.29 -0.24 0.00 0.04 0.00 0.00 61.00 61.48 1j9a s PRO 106 Cb -0.17 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1j9a s PRO 106 CO 0.20 -2.34 0.72 -1.50 0.04 0.00 0.00 177.00 174.12 1j9a s ILE 107 N -3.24 5.01 -0.05 0.56 2.07 -0.27 -4.38 121.20 120.90 1j9a s ILE 107 Ca 0.65 1.46 0.06 0.00 -1.41 0.00 0.00 60.65 61.40 1j9a s ILE 107 Cb -0.15 -4.05 -0.01 0.00 0.13 0.00 0.00 42.46 38.38 1j9a s ILE 107 CO 0.54 0.19 -0.24 0.00 -1.91 0.00 0.00 174.94 173.52 1j9a n GLY 109 N 2.92 -0.02 3.58 0.00 0.00 -1.09 -2.36 105.19 108.22 1j9a n GLY 109 Ca -0.17 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1j9a n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j9a s ASN 110 N -4.00 5.83 -1.43 1.61 -0.87 -1.26 -1.18 114.94 113.64 1j9a s ASN 110 Ca 0.00 -0.01 -0.09 0.00 -1.57 0.00 0.00 52.86 51.19 1j9a s ASN 110 Cb 0.00 -2.06 0.02 0.00 -0.02 0.00 0.00 41.25 39.19 1j9a s ASN 110 CO 0.00 0.01 1.03 -1.20 -2.57 0.00 0.00 177.10 174.36 1j9a n SER 111 N 4.67 -6.03 0.00 -1.22 7.64 -1.26 -4.81 113.62 112.61 1j9a n SER 111 Ca -0.15 -0.53 0.12 0.00 1.01 0.00 0.00 58.87 59.32 1j9a n SER 111 Cb 0.52 -4.78 0.65 0.00 -1.01 0.00 0.00 64.21 59.59 1j9a n SER 111 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1j9a n ILE 112 N -4.84 0.14 -0.30 0.44 -6.64 -1.26 -2.19 119.36 104.71 1j9a n ILE 112 Ca -0.01 0.03 -0.03 0.00 -1.77 0.00 0.00 62.75 60.98 1j9a n ILE 112 Cb 0.57 -0.65 0.09 0.00 -1.44 0.00 0.00 39.64 38.21 1j9a n ILE 112 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1j9a h ALA 113 N 3.31 1.07 -0.46 -1.28 0.00 -1.95 -1.47 119.26 118.48 1j9a h ALA 113 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1j9a h ALA 113 Cb 0.12 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1j9a h ALA 113 CO 0.00 0.39 0.07 0.37 0.00 0.00 0.00 179.25 180.08 1j9a h GLN 114 N 1.06 0.19 -0.42 0.00 5.75 -1.81 -2.24 115.11 117.64 1j9a h GLN 114 Ca 0.32 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1j9a h GLN 114 Cb -0.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1j9a h GLN 114 CO -0.10 0.13 0.22 -0.44 -2.65 0.00 0.00 178.83 175.99 1j9a h ASP 115 N 0.20 0.53 -0.16 -0.69 3.32 -1.44 -3.11 116.42 115.07 1j9a h ASP 115 Ca 0.23 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1j9a h ASP 115 Cb 0.31 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1j9a h ASP 115 CO -0.32 0.48 0.08 0.50 -1.72 0.00 0.00 179.24 178.26 1j9a h LYS 116 N 0.54 0.26 -0.73 3.56 1.63 -1.15 -1.46 116.57 119.22 1j9a h LYS 116 Ca 0.15 -0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.03 1j9a h LYS 116 Cb 0.07 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.57 1j9a h LYS 116 CO -0.02 0.21 0.35 0.00 -3.45 0.00 0.00 179.45 176.55 1j9a h ARG 117 N 0.26 0.57 0.04 1.90 3.08 -1.33 -0.12 114.38 118.77 1j9a h ARG 117 Ca 0.07 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1j9a h ARG 117 Cb 0.05 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 29.98 1j9a h ARG 117 CO -0.01 0.38 -0.67 0.74 -1.07 0.00 0.00 179.97 179.34 1j9a h PHE 118 N 0.58 0.60 -0.29 3.04 -1.00 -1.39 -2.91 116.94 115.57 1j9a h PHE 118 Ca 0.37 -0.35 0.06 0.00 2.81 0.00 0.00 57.97 60.86 1j9a h PHE 118 Cb 0.43 -0.06 -0.08 0.00 3.61 0.00 0.00 35.95 39.85 1j9a h PHE 118 CO -0.11 1.19 -0.36 -0.07 -1.61 0.00 0.00 178.31 177.35 1j9a h LEU 119 N -0.16 -1.15 -2.00 1.54 3.38 -1.35 0.72 115.31 116.30 1j9a h LEU 119 Ca -0.09 0.18 0.23 0.00 0.09 0.00 0.00 57.88 58.29 1j9a h LEU 119 Cb 1.40 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 1j9a h LEU 119 CO 0.13 -0.35 0.57 0.58 0.09 0.00 0.00 178.44 179.46 1j9a h VAL 120 N -0.34 0.60 0.02 1.22 2.07 -1.03 -1.41 116.25 117.38 1j9a h VAL 120 Ca 0.13 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.28 1j9a h VAL 120 Cb 0.56 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1j9a h VAL 120 CO -0.48 0.00 -2.34 1.17 0.02 0.00 0.00 177.57 175.94 1j9a n LYS 121 N -4.28 0.67 -0.73 1.57 4.81 -0.46 -4.43 118.16 115.31 1j9a n LYS 121 Ca 0.16 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.72 1j9a n LYS 121 Cb 0.86 -1.56 0.24 0.00 0.02 0.00 0.00 35.03 34.59 1j9a n LYS 121 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j9a n TYR 122 N -3.14 1.39 0.00 5.64 4.02 0.24 -5.10 117.16 120.21 1j9a n TYR 122 Ca -0.39 -1.28 0.00 0.00 -0.01 0.00 0.00 57.90 56.22 1j9a n TYR 122 Cb 1.05 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1j9a n TYR 122 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1j9a n PRO 124 N -0.75 0.00 -0.10 -0.72 -0.04 -0.57 -4.74 135.00 128.07 1j9a n PRO 124 Ca 0.32 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1j9a n PRO 124 Cb 1.08 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.54 1j9a n PRO 124 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j9a h ASP 125 N 0.00 0.95 -0.57 3.54 3.32 -1.95 -1.53 116.42 120.17 1j9a h ASP 125 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1j9a h ASP 125 Cb 0.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1j9a h ASP 125 CO 0.00 1.22 0.36 0.25 -1.72 0.00 0.00 179.24 179.35 1j9a h LEU 126 N 0.72 0.67 -1.57 1.55 6.46 -1.92 -2.06 115.31 119.17 1j9a h LEU 126 Ca 0.06 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1j9a h LEU 126 Cb 0.97 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1j9a h LEU 126 CO 0.09 0.51 -0.22 0.00 -0.62 0.00 0.00 178.44 178.21 1j9a h ALA 127 N 1.19 1.64 0.00 1.25 0.00 -1.79 0.56 119.26 122.11 1j9a h ALA 127 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1j9a h ALA 127 Cb -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1j9a h ALA 127 CO -0.04 0.27 -0.17 -0.44 0.00 0.00 0.00 179.25 178.87 1j9a h ASP 128 N 0.00 0.00 0.69 0.00 3.45 -0.99 -3.26 116.42 116.31 1j9a h ASP 128 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1j9a h ASP 128 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1j9a h ASP 128 CO 0.03 0.16 0.00 0.22 -1.57 0.00 0.00 179.24 178.08 1j9a h TYR 129 N 0.00 0.00 -3.19 4.55 3.20 -0.16 -3.38 116.97 117.98 1j9a h TYR 129 Ca -0.00 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.28 1j9a h TYR 129 Cb 1.12 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 1j9a h TYR 129 CO 0.00 0.00 -0.14 -0.06 -1.64 0.00 0.00 178.16 176.32 1j9a s PHE 130 N -3.46 3.66 0.91 -3.82 0.40 -1.23 0.18 117.98 114.62 1j9a s PHE 130 Ca 0.02 1.02 -0.14 0.00 -0.60 0.00 0.00 56.93 57.23 1j9a s PHE 130 Cb 0.09 -2.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.16 1j9a s PHE 130 CO 0.41 0.43 0.21 1.58 0.70 0.00 0.00 175.22 178.55 1j9a n HIS 131 N 2.57 -2.02 0.22 0.36 -0.00 0.18 -4.65 115.22 111.89 1j9a n HIS 131 Ca -0.10 0.21 0.11 0.00 -0.00 0.00 0.00 57.72 57.94 1j9a n HIS 131 Cb 0.52 -1.74 0.39 0.00 -0.00 0.00 0.00 29.99 29.15 1j9a n HIS 131 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1j9a h TYR 132 N -1.23 0.00 -4.06 1.57 -0.00 -1.89 -3.41 116.97 107.96 1j9a h TYR 132 Ca -0.44 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 57.82 1j9a h TYR 132 Cb 1.30 0.00 0.03 0.00 0.00 0.00 0.00 36.73 38.06 1j9a h TYR 132 CO 0.35 0.15 0.39 1.03 -0.00 0.00 0.00 178.16 180.09 1j9a s ARG 133 N -3.45 3.81 -0.04 0.10 0.52 -1.26 -4.87 118.95 113.76 1j9a s ARG 133 Ca 0.03 1.41 -0.02 0.00 -0.52 0.00 0.00 55.73 56.63 1j9a s ARG 133 Cb 0.08 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 1j9a s ARG 133 CO 0.64 -0.43 0.08 -1.01 0.02 0.00 0.00 175.30 174.60 1j9a s HIS 134 N -1.91 3.32 -0.60 -0.53 3.76 -1.26 -1.11 115.29 116.96 1j9a s HIS 134 Ca 0.66 0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.88 1j9a s HIS 134 Cb -0.18 -1.79 0.15 0.00 1.11 0.00 0.00 32.58 31.87 1j9a s HIS 134 CO 0.22 0.57 0.36 -1.17 -0.85 0.00 0.00 174.74 173.87 1j9a s LEU 135 N -1.45 4.55 -0.55 0.89 2.96 0.35 -4.83 118.68 120.60 1j9a s LEU 135 Ca 0.20 -3.37 -0.21 0.00 -0.22 0.00 0.00 54.13 50.52 1j9a s LEU 135 Cb -0.12 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 44.98 1j9a s LEU 135 CO 0.10 -0.17 0.78 -0.62 -1.32 0.00 0.00 176.35 175.12 1j9a s ASP 136 N -0.77 6.26 0.50 3.68 -1.08 -1.26 -2.65 116.67 121.34 1j9a s ASP 136 Ca 0.20 -0.75 0.21 0.00 -0.52 0.00 0.00 52.55 51.69 1j9a s ASP 136 Cb -0.17 -2.36 1.27 0.00 -1.46 0.00 0.00 42.92 40.20 1j9a s ASP 136 CO -0.07 -1.09 2.00 0.58 0.52 0.00 0.00 175.17 177.10 1j9a h VAL 137 N 5.94 0.80 0.00 1.11 2.07 -1.52 0.37 116.25 125.01 1j9a h VAL 137 Ca -0.27 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1j9a h VAL 137 Cb 1.08 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1j9a h VAL 137 CO 1.04 0.02 0.00 0.28 0.02 0.00 0.00 177.57 178.94 1j9a h SER 138 N 0.13 0.00 -0.86 0.57 0.02 -1.92 -1.07 113.55 110.42 1j9a h SER 138 Ca 0.25 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 1j9a h SER 138 Cb 0.81 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 1j9a h SER 138 CO -0.03 0.00 0.54 0.74 -1.14 0.00 0.00 176.83 176.94 1j9a h THR 139 N 0.00 1.08 -0.11 -2.27 2.02 -1.30 -1.47 112.91 110.86 1j9a h THR 139 Ca 0.00 -0.35 -0.20 0.00 0.77 0.00 0.00 66.41 66.64 1j9a h THR 139 Cb 0.44 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1j9a h THR 139 CO 0.00 0.18 -0.74 -0.07 0.37 0.00 0.00 175.52 175.27 1j9a h LEU 140 N 1.01 0.65 -0.22 2.58 3.38 -1.30 -2.62 115.31 118.78 1j9a h LEU 140 Ca 0.36 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j9a h LEU 140 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1j9a h LEU 140 CO -0.15 1.18 0.14 0.50 0.09 0.00 0.00 178.44 180.20 1j9a h LYS 141 N 0.38 0.29 -0.80 1.13 3.64 -1.41 0.26 116.57 120.06 1j9a h LYS 141 Ca -0.04 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1j9a h LYS 141 Cb 1.33 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 1j9a h LYS 141 CO 0.14 0.20 0.52 0.93 -2.27 0.00 0.00 179.45 178.97 1j9a h GLU 142 N 0.29 0.77 0.06 1.90 4.39 -1.15 0.36 114.58 121.22 1j9a h GLU 142 Ca 0.08 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.49 1j9a h GLU 142 Cb -0.02 -0.17 0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1j9a h GLU 142 CO -0.02 0.51 -0.99 -0.07 -1.16 0.00 0.00 179.01 177.28 1j9a h LEU 143 N 0.80 0.77 -0.00 1.33 3.38 -0.98 -2.99 115.31 117.61 1j9a h LEU 143 Ca 0.36 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1j9a h LEU 143 Cb 0.35 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1j9a h LEU 143 CO -0.13 1.48 0.00 0.00 0.09 0.00 0.00 178.44 179.87 1j9a h ALA 144 N 0.30 0.00 -0.21 1.53 0.00 -0.11 0.40 119.26 121.18 1j9a h ALA 144 Ca -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1j9a h ALA 144 Cb 1.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1j9a h ALA 144 CO 0.19 -0.41 0.53 0.00 0.00 0.00 0.00 179.25 179.56 1j9a h ALA 145 N 0.82 1.79 0.00 0.00 0.00 -0.32 1.57 119.26 123.12 1j9a h ALA 145 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1j9a h ALA 145 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1j9a h ALA 145 CO -0.00 -0.64 -1.86 0.54 0.00 0.00 0.00 179.25 177.29 1j9a n ARG 146 N -3.11 1.28 0.00 0.00 1.74 -0.68 -4.57 116.66 111.32 1j9a n ARG 146 Ca 0.03 -0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1j9a n ARG 146 Cb 0.63 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.70 1j9a n ARG 146 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1j9a n TRP 147 N -2.35 0.00 -2.69 -1.55 8.01 0.13 -4.88 117.44 114.12 1j9a n TRP 147 Ca -0.16 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 55.98 1j9a n TRP 147 Cb 0.76 0.00 0.10 0.00 -2.01 0.00 0.00 31.31 30.16 1j9a n TRP 147 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1j9a n LYS 148 N -0.70 0.51 0.27 -0.99 4.81 0.53 -4.98 118.16 117.60 1j9a n LYS 148 Ca 0.01 -1.22 0.13 0.00 -0.87 0.00 0.00 58.31 56.36 1j9a n LYS 148 Cb 0.07 -0.54 0.75 0.00 0.02 0.00 0.00 35.03 35.33 1j9a n LYS 148 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1j9a h PRO 149 N 2.58 0.00 -0.76 1.64 0.13 -1.63 -2.56 132.00 131.40 1j9a h PRO 149 Ca -0.23 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.08 1j9a h PRO 149 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1j9a h PRO 149 CO 0.05 0.10 0.52 0.93 -0.23 0.00 0.00 178.00 179.37 1j9a h GLU 150 N 0.00 0.28 0.00 0.86 3.07 -1.95 0.45 114.58 117.29 1j9a h GLU 150 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1j9a h GLU 150 Cb 0.30 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1j9a h GLU 150 CO 0.01 0.18 0.00 0.44 -1.40 0.00 0.00 179.01 178.25 1j9a n ILE 151 N -4.44 0.58 0.40 3.13 -5.35 -0.96 -2.20 119.36 110.52 1j9a n ILE 151 Ca 0.15 0.13 0.12 0.00 -0.27 0.00 0.00 62.75 62.88 1j9a n ILE 151 Cb 0.64 -0.79 0.14 0.00 -1.74 0.00 0.00 39.64 37.88 1j9a n ILE 151 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1j9a h LEU 152 N 0.00 0.00 -0.26 7.28 3.38 -0.28 -3.23 115.31 122.20 1j9a h LEU 152 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1j9a h LEU 152 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1j9a h LEU 152 CO 0.00 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1j9a n GLU 153 N -2.40 1.17 -0.19 1.13 1.02 -0.93 -3.58 120.64 116.86 1j9a n GLU 153 Ca 0.03 -0.26 0.03 0.00 -0.02 0.00 0.00 57.16 56.94 1j9a n GLU 153 Cb 0.48 -1.19 0.04 0.00 -0.02 0.00 0.00 31.44 30.76 1j9a n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j9a n GLY 154 N 0.74 1.72 2.85 0.62 0.00 -1.22 -4.96 105.19 104.95 1j9a n GLY 154 Ca 0.09 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1j9a n GLY 154 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j9a s PHE 155 N -1.10 -0.76 -0.31 1.61 5.36 -1.23 -5.10 117.98 116.44 1j9a s PHE 155 Ca 0.10 0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1j9a s PHE 155 Cb 0.09 -0.27 0.13 0.00 -0.34 0.00 0.00 43.02 42.62 1j9a s PHE 155 CO 0.01 -0.93 0.24 0.15 -1.46 0.00 0.00 175.22 173.22 1j9a s LYS 156 N 2.47 0.34 1.45 10.12 -0.14 -1.26 -4.93 119.74 127.79 1j9a s LYS 156 Ca 0.10 -0.52 -0.24 0.00 -1.36 0.00 0.00 55.97 53.95 1j9a s LYS 156 Cb -0.13 -0.92 0.37 0.00 -1.68 0.00 0.00 37.83 35.47 1j9a s LYS 156 CO -0.30 -1.07 0.92 -1.59 -0.76 0.00 0.00 175.35 172.55 1j9a s LYS 157 N 1.99 -3.14 0.22 1.68 -2.85 -1.26 -5.09 119.74 111.28 1j9a s LYS 157 Ca 0.11 0.08 0.04 0.00 -1.00 0.00 0.00 55.97 55.21 1j9a s LYS 157 Cb -0.16 -1.36 -0.05 0.00 -2.06 0.00 0.00 37.83 34.20 1j9a s LYS 157 CO -0.26 -5.00 -0.03 -1.83 0.10 0.00 0.00 175.35 168.33 1j9a s GLU 158 N -5.13 1.30 0.00 1.78 1.03 -1.26 -5.15 118.70 111.27 1j9a s GLU 158 Ca 0.69 -1.64 0.00 0.00 0.03 0.00 0.00 54.97 54.05 1j9a s GLU 158 Cb -0.12 -0.67 0.00 0.00 -0.80 0.00 0.00 34.13 32.54 1j9a s GLU 158 CO 0.57 -0.05 0.00 -1.71 -1.33 0.00 0.00 175.26 172.75 1j9a n ASN 159 N -0.39 0.00 0.00 0.83 2.85 -1.26 -4.91 115.26 112.39 1j9a n ASN 159 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1j9a n ASN 159 Cb 0.63 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.65 1j9a n ASN 159 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1j9a n THR 160 N 0.00 0.00 1.37 -0.44 -1.04 -1.26 -4.91 114.28 108.00 1j9a n THR 160 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1j9a n THR 160 Cb 0.00 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 1j9a n THR 160 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j9a n HIS 161 N -1.96 0.00 -3.47 -1.42 1.44 -1.26 -4.44 115.22 104.12 1j9a n HIS 161 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1j9a n HIS 161 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 1j9a n HIS 161 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1j9a s LEU 162 N -1.48 5.97 0.35 2.39 1.43 -1.26 -4.97 118.68 121.11 1j9a s LEU 162 Ca 0.16 -2.09 0.17 0.00 -1.03 0.00 0.00 54.13 51.33 1j9a s LEU 162 Cb 0.07 -2.08 1.20 0.00 0.03 0.00 0.00 46.19 45.41 1j9a s LEU 162 CO 0.12 -0.69 1.61 0.00 0.23 0.00 0.00 176.35 177.62 1j9a h ALA 163 N 8.33 2.00 0.00 4.21 0.00 -1.98 0.79 119.26 132.61 1j9a h ALA 163 Ca -0.17 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1j9a h ALA 163 Cb 1.06 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1j9a h ALA 163 CO 0.88 -0.79 -0.09 -0.07 0.00 0.00 0.00 179.25 179.18 1j9a h LEU 164 N 0.11 0.00 0.04 0.00 3.38 -1.94 0.13 115.31 117.03 1j9a h LEU 164 Ca 0.78 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.51 1j9a h LEU 164 Cb 1.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 1j9a h LEU 164 CO -0.72 0.09 -1.19 0.44 0.09 0.00 0.00 178.44 177.14 1j9a h ASP 165 N 0.00 0.12 -0.15 -0.43 3.32 0.21 -2.39 116.42 117.08 1j9a h ASP 165 Ca -0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1j9a h ASP 165 Cb 0.61 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1j9a h ASP 165 CO 0.01 1.11 0.03 0.44 -1.72 0.00 0.00 179.24 179.12 1j9a h ASP 166 N 0.02 0.24 -0.75 6.45 5.19 0.05 -2.18 116.42 125.43 1j9a h ASP 166 Ca -0.09 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.04 1j9a h ASP 166 Cb 1.86 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 41.28 1j9a h ASP 166 CO 0.14 0.42 0.35 0.40 -3.12 0.00 0.00 179.24 177.43 1j9a h ILE 167 N 0.05 1.24 0.00 0.35 2.04 -0.97 -2.22 117.51 118.01 1j9a h ILE 167 Ca 0.05 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1j9a h ILE 167 Cb 0.27 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1j9a h ILE 167 CO 0.00 0.30 -0.08 0.03 0.00 0.00 0.00 178.15 178.40 1j9a h ARG 168 N 1.09 0.00 0.07 2.37 3.08 -0.89 -0.89 114.38 119.21 1j9a h ARG 168 Ca 0.26 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.04 1j9a h ARG 168 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1j9a h ARG 168 CO -0.03 0.08 -1.37 0.93 -1.07 0.00 0.00 179.97 178.51 1j9a h GLU 169 N 0.00 0.15 -0.84 0.04 4.39 -0.82 0.10 114.58 117.60 1j9a h GLU 169 Ca -0.00 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.46 1j9a h GLU 169 Cb 0.21 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1j9a h GLU 169 CO 0.01 1.01 0.56 0.77 -1.16 0.00 0.00 179.01 180.20 1j9a h SER 170 N 0.04 0.95 -0.05 1.42 0.02 -0.81 0.57 113.55 115.69 1j9a h SER 170 Ca -0.17 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 1j9a h SER 170 Cb 1.94 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1j9a h SER 170 CO 0.15 0.68 -0.33 0.40 -1.14 0.00 0.00 176.83 176.59 1j9a h ILE 171 N 1.12 1.44 -0.75 3.27 2.04 -1.15 -2.47 117.51 121.02 1j9a h ILE 171 Ca 0.32 -1.77 0.12 0.00 1.00 0.00 0.00 64.86 64.52 1j9a h ILE 171 Cb -0.09 2.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 1j9a h ILE 171 CO -0.08 0.51 0.35 0.11 0.00 0.00 0.00 178.15 179.04 1j9a h LYS 172 N -0.20 0.54 -0.88 2.37 1.57 -0.42 0.11 116.57 119.65 1j9a h LYS 172 Ca -0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1j9a h LYS 172 Cb 0.99 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1j9a h LYS 172 CO 0.07 0.35 0.48 1.49 -0.57 0.00 0.00 179.45 181.27 1j9a h GLU 173 N 0.55 1.23 -0.30 3.15 4.81 0.26 0.47 114.58 124.75 1j9a h GLU 173 Ca 0.39 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1j9a h GLU 173 Cb 0.50 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1j9a h GLU 173 CO -0.33 0.90 -0.02 1.25 -0.73 0.00 0.00 179.01 180.09 1j9a h LEU 174 N 1.24 0.53 -1.14 1.64 6.46 -0.54 -1.54 115.31 121.96 1j9a h LEU 174 Ca 0.31 -0.32 0.11 0.00 -0.12 0.00 0.00 57.88 57.86 1j9a h LEU 174 Cb 0.03 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 39.75 1j9a h LEU 174 CO -0.05 0.72 0.60 0.00 -0.62 0.00 0.00 178.44 179.10 1j9a h ALA 175 N 0.82 1.61 -0.63 1.25 0.00 -0.42 0.27 119.26 122.15 1j9a h ALA 175 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1j9a h ALA 175 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1j9a h ALA 175 CO 0.02 0.19 0.15 -0.92 0.00 0.00 0.00 179.25 178.69 1j9a h TYR 176 N 0.92 1.06 -0.02 0.00 3.20 -0.21 -2.69 116.97 119.24 1j9a h TYR 176 Ca 0.44 -0.13 -0.14 0.00 3.14 0.00 0.00 58.73 62.05 1j9a h TYR 176 Cb 0.45 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1j9a h TYR 176 CO -0.00 0.89 -0.64 1.88 -1.64 0.00 0.00 178.16 178.65 1j9a h TYR 177 N 0.93 0.09 -0.54 -3.82 0.99 0.38 -0.97 116.97 114.03 1j9a h TYR 177 Ca 0.20 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.86 1j9a h TYR 177 Cb 0.36 -0.02 -0.03 0.00 1.00 0.00 0.00 36.73 38.05 1j9a h TYR 177 CO 0.03 0.69 0.22 -0.09 -0.00 0.00 0.00 178.16 179.00 1j9a h ARG 178 N 0.05 0.78 0.26 4.88 2.43 -0.72 0.12 114.38 122.18 1j9a h ARG 178 Ca -0.01 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1j9a h ARG 178 Cb 1.14 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1j9a h ARG 178 CO 0.09 0.64 -0.12 1.49 -1.51 0.00 0.00 179.97 180.56 1j9a h GLU 179 N 0.77 -0.33 -0.41 0.20 4.57 -1.29 -3.39 114.58 114.70 1j9a h GLU 179 Ca 0.19 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.36 1j9a h GLU 179 Cb 0.15 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1j9a h GLU 179 CO -0.02 -0.22 0.02 0.72 -1.18 0.00 0.00 179.01 178.33 1j9a n HIS 180 N -3.18 1.46 -2.35 0.92 -0.00 -0.39 -5.00 115.22 106.68 1j9a n HIS 180 Ca -0.04 -0.90 -0.00 0.00 -0.00 0.00 0.00 57.72 56.78 1j9a n HIS 180 Cb 0.14 -0.42 -0.01 0.00 -0.00 0.00 0.00 29.99 29.70 1j9a n HIS 180 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1j9a n PHE 181 N -0.16 0.00 -3.23 4.41 -0.00 0.41 -4.97 117.46 113.92 1j9a n PHE 181 Ca 0.26 -0.62 -0.03 0.00 -0.00 0.00 0.00 57.45 57.07 1j9a n PHE 181 Cb 1.05 0.12 -0.03 0.00 -0.00 0.00 0.00 39.48 40.62 1j9a n PHE 181 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1j9a s LYS 183 N -0.18 0.56 0.16 -4.13 2.20 -1.26 -5.00 119.74 112.09 1j9a s LYS 183 Ca 0.21 0.15 0.20 0.00 -0.36 0.00 0.00 55.97 56.17 1j9a s LYS 183 Cb 0.25 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1j9a s LYS 183 CO -0.10 -1.08 0.99 -0.07 -0.36 0.00 0.00 175.35 174.72 1j9a h LEU 184 N 7.81 0.00 0.00 5.43 4.07 -1.99 -3.55 115.31 127.09 1j9a h LEU 184 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1j9a h LEU 184 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1j9a h LEU 184 CO 0.18 0.26 0.00 0.47 -1.08 0.00 0.00 178.44 178.28